Geometry & MOs

Info

ID:	250343
PubChem CID:	103095835
Reduced:	ClFON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	317.037875
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	4.05
IP(EA), eV:	-9.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(4,5-difluoro-2-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=CC(=C2)F)C)Cl

DOS

IR

Vibrations